2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

C225H280Cl2F6N18O5S — CID 162031057

IUPAC2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.C13H17F3O.2C13H15NO.3C13H15N.C12H15F3O.C12H14N2.C12H14S.C12H18.2C11H14N2.C10H13N3.C10H19NO/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-8(12)11-6-9(7-11)5-10(2,3)4/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);3*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);9H,5-7H2,1-4H3/t;;;;;;;;;;;;;10-;;;;/m.............0..../s1
InChIKeyYWAKIPIFZLRGLB-UQFAGKTMSA-N
MW3533.80 g/mol
LogP62.03
Rot. Bonds8

About 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (PubChem CID 162031057) has the molecular formula C225H280Cl2F6N18O5S and a molecular weight of 3533.80 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
PubChem CID162031057
Molecular FormulaC225H280Cl2F6N18O5S
Molecular Weight3533.80 g/mol
Exact Mass3530.12
IUPAC Name2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.C13H17F3O.2C13H15NO.3C13H15N.C12H15F3O.C12H14N2.C12H14S.C12H18.2C11H14N2.C10H13N3.C10H19NO/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-8(12)11-6-9(7-11)5-10(2,3)4/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);3*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);9H,5-7H2,1-4H3/t;;;;;;;;;;;;;10-;;;;/m.............0..../s1
InChIKeyYWAKIPIFZLRGLB-UQFAGKTMSA-N
XLogP62.03
TPSA317.54 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003533.80
LogP ≤ 562.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene with MolForge

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Related Compounds

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 158636432
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 159344306
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;6-tert-butylisoquinolin-4-ol;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 161510572
2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine
CID 158792558

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (CID 162031057) is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is CC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The InChIKey is YWAKIPIFZLRGLB-UQFAGKTMSA-N. The full InChI is InChI=1S/C17H23N.C14H16.2C13H14ClN.C13H17F3O.2C13H15NO.3C13H15N.C12H15F3O.C12H14N2.C12H14S.C12H18.2C11H14N2.C10H13N3.C10H19NO/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-8(12)11-6-9(7-11)5-10(2,3)4/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);3*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);9H,5-7H2,1-4H3/t;;;;;;;;;;;;;10-;;;;/m.............0..../s1.
What are the key properties of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene has a molecular weight of 3533.80 g/mol, XLogP of 62.03, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 162031057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).